Isobars in ENTACT
Hi Todor,
As discussed these two compounds in ENTACT records have exact same mass, name, InChI key but different IDs and retention time.
| LU034451 | Benzoic acid | OC(=O)C1=CC=CC=C1 | 122.0368 | C7H6O2 | WPYMKLBDIGXBTP-UHFFFAOYSA-N |11.691 min |
| LU048551 | Benzoic acid | OC(=O)C1=CC=CC=C1 | 122.0368 | C7H6O2 | WPYMKLBDIGXBTP-UHFFFAOYSA-N | 12.411 min |
when I checked the master compound list which i used for prescreening, ID344 is Benzoic acid and ID 485 is Sodium Benzoate
Thanks, Anjana